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A New Method in Modeling and Simulations of Complex Oxidation Chemistry

Harstad, Kenneth G. and Bellan, Josette (2007) A New Method in Modeling and Simulations of Complex Oxidation Chemistry. In: 45th AIAA Aerospace Sciences Meeting and Exhibit. American Institute of Aeronautics and Astronautics , Reston, VA, Art. No. 2007-1433. ISBN 978-1-62410-012-3. https://resolver.caltech.edu/CaltechAUTHORS:20200505-073936057

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Abstract

A simplified model is proposed for the kinetics of alkane oxidation in air, based on a decomposition of heavy (carbon number ≥3) hydrocarbons into a 13 constituent radical base. The behavior of this base is examined in test computations for heptane utilizing Chemkin II with LLNL data inputs. Emphasis is placed on prediction of the heat release and temperature evolution. At stoichiometric conditions, the total constituent molar density was found to follow a quasi-steady rate which is a simplification in the modeling of its reaction rate.


Item Type:Book Section
Related URLs:
URLURL TypeDescription
https://doi.org/10.2514/6.2007-1433DOIArticle
ORCID:
AuthorORCID
Bellan, Josette0000-0001-9218-7017
Additional Information:© 2007 by California Institute of Technology. Published by the American Institute of Aeronautics and Astronautics, Inc., with permission.
Other Numbering System:
Other Numbering System NameOther Numbering System ID
AIAA Paper2007-1433
DOI:10.2514/6.2007-1433
Record Number:CaltechAUTHORS:20200505-073936057
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20200505-073936057
Official Citation:A New Method in Modeling and Simulations of Complex Oxidation Chemistry. Kenneth Harstad and Josette Bellan. 45th AIAA Aerospace Sciences Meeting and Exhibit. January 2007; doi: 10.2514/6.2007-1433
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:102992
Collection:CaltechAUTHORS
Deposited By: Tony Diaz
Deposited On:05 May 2020 16:34
Last Modified:16 Nov 2021 18:17

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